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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
Tachioside
302.28
-0.9
5
8
128.84
4
(1R,14S)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
410.40
3
1
7
83.45
2
Anthecotulide
248.32
3.2
0
3
43.37
5
5,8,8-Trimethyl-3-oxatricyclo(5.1.0.02,4)octane
152.23
2.4
0
1
12.53
0
4-Hydroxy-2-oxobutanoic acid
118.09
-1.1
2
4
74.6
3
Hexadec-8-enoic acid
254.41
6.4
1
2
37.3
13
2-Methyl-2-(4-methyl-3-cyclohexen-1-yl)oxirane
152.23
1.8
0
1
12.53
1
Cryptomerione
218.33
4.3
0
1
17.07
4
Artonin B
502.60
6.7
4
7
120.36
3
1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine
325.40
4
0
3
38.77
6
Dendrochrysanene
508.50
5
3
8
122.52
2
L-Aminobutyric Acid-d3
106.14
-2.5
2
3
63.32
2
ent-Kaurene
272.50
6.9
0
0
0
0
trans-Dodec-2-enoyl-CoA
947.80
-0.6
9
22
418.36
29
tetradecanoyl-CoA
977.90
0.6
9
22
418.36
32
2-methylbutanoyl-CoA
851.70
-4.2
9
22
418.36
22
(R)-3-Hydroxybutanoyl-CoA
853.60
-5.9
10
23
438.59
22
(S)-3-Hydroxydecanoyl-CoA
937.80
-2.9
10
23
438.59
28
(S)-3-Hydroxyhexanoyl-CoA
881.70
-5.1
10
23
438.59
24
trans-Oct-2-enoyl-CoA
891.70
-2.8
9
22
418.36
25
cis-dodec-3-enoyl-CoA
947.80
-1
9
22
418.36
29
(2S,3S)-3-hydroxy-2-methylbutanoic acid
118.13
0
2
3
57.53
2
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
390.40
-0.9
5
9
153.75
9
Halocynthiaxanthin
598.90
8.8
2
4
70.06
11
[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16R)-14-hydroxy-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-13-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
664.90
3.8
5
10
155.14
6
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